3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid

C22H21NO2 — CID 54583098

IUPAC3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c24-22(25)14-11-17-9-12-21(13-10-17)23-16-18-5-4-8-20(15-18)19-6-2-1-3-7-19/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
InChIKeyQGGAXEHCBJKZTM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.98
Rot. Bonds7

About 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid

3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid (PubChem CID 54583098) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid
PubChem CID54583098
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c24-22(25)14-11-17-9-12-21(13-10-17)23-16-18-5-4-8-20(15-18)19-6-2-1-3-7-19/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
InChIKeyQGGAXEHCBJKZTM-UHFFFAOYSA-N
XLogP4.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid (CID 54583098) is 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid is O=C(O)CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid?
The InChIKey is QGGAXEHCBJKZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)14-11-17-9-12-21(13-10-17)23-16-18-5-4-8-20(15-18)19-6-2-1-3-7-19/h1-10,12-13,15,23H,11,14,16H2,(H,24,25).
What are the key properties of 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid?
3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid has a molecular weight of 331.42 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-phenylphenyl)methylamino]phenyl]propanoic acid is sourced from PubChem (CID 54583098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).